2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol

C18H26N4O2 — CID 54341207

IUPAC2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol
SMILESOc1cnc(NCCCOc2ccc(CN3CCCCC3)cc2)[nH]1
InChIInChI=1S/C18H26N4O2/c23-17-13-20-18(21-17)19-9-4-12-24-16-7-5-15(6-8-16)14-22-10-2-1-3-11-22/h5-8,13,23H,1-4,9-12,14H2,(H2,19,20,21)
InChIKeyTZBQRNNQPIFNOX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.98
Rot. Bonds8

About 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol

2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol (PubChem CID 54341207) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol
PubChem CID54341207
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol
SMILESOc1cnc(NCCCOc2ccc(CN3CCCCC3)cc2)[nH]1
InChIInChI=1S/C18H26N4O2/c23-17-13-20-18(21-17)19-9-4-12-24-16-7-5-15(6-8-16)14-22-10-2-1-3-11-22/h5-8,13,23H,1-4,9-12,14H2,(H2,19,20,21)
InChIKeyTZBQRNNQPIFNOX-UHFFFAOYSA-N
XLogP2.98
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 10089065
N-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
CID 57308357
3-N-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]quinoxaline-2,3-diamine
CID 57399370
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
CID 25267143
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
ethyl N-[6-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-5-yl]carbamate
CID 14326694
1-[(4-prop-2-enoxyphenyl)methyl]piperidine
CID 2281055
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide
CID 29214226
acetic acid;5-[(4-butoxyphenyl)methyl]-4-hydroxy-2-(3-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 52997934
3-[(6-methyl-3-pyridinyl)methylamino]-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
CID 21283054

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol?
The IUPAC name of 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol (CID 54341207) is 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol.
What is the SMILES notation for 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol?
The canonical SMILES for 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol is Oc1cnc(NCCCOc2ccc(CN3CCCCC3)cc2)[nH]1.
What is the InChIKey of 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol?
The InChIKey is TZBQRNNQPIFNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-13-20-18(21-17)19-9-4-12-24-16-7-5-15(6-8-16)14-22-10-2-1-3-11-22/h5-8,13,23H,1-4,9-12,14H2,(H2,19,20,21).
What are the key properties of 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol?
2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol has a molecular weight of 330.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-imidazol-5-ol is sourced from PubChem (CID 54341207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).